Receptor
PDB id Resolution Class Description Source Keywords
5NOU 1.3 Å EC: 5.2.1.8 STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH HEXAHYDROPYRIMIDI HOMO SAPIENS LIGAND COMPLEX BETA BARREL PROLYL CIS/TRANS ISOMERASE CYTISOMERASE
Ref.: PUSHING THE LIMITS OF DETECTION OF WEAK BINDING USI FRAGMENT-BASED DRUG DISCOVERY: IDENTIFICATION OF NE CYCLOPHILIN BINDERS. J. MOL. BIOL. V. 429 2556 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L60 A:203;
A:201;
A:202;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
100.119 C4 H8 N2 O C1CNC...
TRS A:204;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YND 1.6 Å EC: 5.2.1.8 STRUCTURE OF HUMAN CYCLOPHILIN A IN COMPLEX WITH THE NOVEL IMMUNOSUPPRESSANT SANGLIFEHRIN A AT 1.6A RESOLUTION HOMO SAPIENS BETA SANDWICH CYCLOPHILIN-LIGAND COMPLEX CYCLOSPORIN ISOMERASE ROTAMASE
Ref.: STRUCTURE OF HUMAN CYCLOPHILIN A IN COMPLEX WITH THE NOVEL IMMUNOSUPPRESSANT SANGLIFEHRIN A AT 1.6 A RESOLUTION. J.BIOL.CHEM. V. 280 21965 2005
Members (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 5NOR - 93Q C6 H8 N2 Cc1cccnc1N
2 5T9W Kd = 2600 nM 78E C30 H42 N4 O6 CC(C)[C@H]....
3 5NOV - 93B C4 H8 N2 S C1CNC(=S)N....
4 6X4O Kd = 10 nM UO7 C28 H35 N5 O5 C[C@@H]1c2....
5 5NOS - 92Z C5 H6 N2 O C1C=C(C(=O....
6 4DGB - PRO GLY PRO LEU PRO ALA n/a n/a
7 1W8L Ki = 320 mM 1P3 C8 H15 N O C[C@@H]1CC....
8 5T9U Kd = 25 nM 7HG C34 H50 N4 O8 C[C@H]1[C@....
9 1AWV - HIS VAL GLY PRO ILE ALA n/a n/a
10 5TA2 Kd = 11 nM 78X C36 H48 N4 O7 C[C@@H]1c2....
11 5NOT - 938 C4 H4 Cl N3 c1c(c(ncn1....
12 5T9Z Kd = 64 nM 78R C35 H46 N4 O7 C[C@@H]1[C....
13 5NOX - L97 C5 H5 Cl N2 c1cc(c(nc1....
14 5CYH - GLY PRO n/a n/a
15 2CYH - ALA PRO n/a n/a
16 1AWU - HIS VAL GLY PRO ILE ALA n/a n/a
17 1VBT - ALA ALT PRO PHE NIT n/a n/a
18 5TA4 Kd = 24 nM 838 C30 H44 N4 O6 C[C@@H]1c2....
19 5NOY - 93K C7 H9 N3 O c1cc(c(cc1....
20 1YND ic50 = 3.6 nM SFA C60 H91 N5 O13 CC[C@H]1C[....
21 6X4P Kd = 14 nM UOG C30 H39 N5 O5 C[C@@H]1c2....
22 6X4Q Kd = 9 nM UOJ C31 H39 N5 O5 C[C@@H]1c2....
23 5NOZ - L99 C7 H10 N4 O c1cc(c(cc1....
24 3CYH - SER PRO n/a n/a
25 1NMK ic50 = 5.7 nM SFM C39 H56 N4 O10 C[C@H]1[C@....
26 6X4N Kd = 4 nM UOD C30 H39 N5 O5 C[C@@H]1c2....
27 5NOW - L89 C5 H7 N3 c1cncc(c1N....
28 6X3Y Kd = 10000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
29 6X4M Kd = 11000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
30 4CYH - HIS PRO n/a n/a
31 1RMH - SIN ALA ALA PRO PHE NIT n/a n/a
32 1AWR - HIS ALA GLY PRO ILE ALA n/a n/a
33 1AWQ - HIS ALA GLY PRO ILE ALA n/a n/a
34 5LUD - 76X C5 H7 N3 c1cc(c(nc1....
35 1VBS - ALA DAL PRO PHE NIT n/a n/a
36 5NOQ - 93E C5 H5 Cl N2 c1cc(c(nc1....
37 1W8M Ki = 25 mM E1P C9 H15 N O3 CCOC(=O)C(....
38 6X3R Kd = 30000 nM ZXX C22 H32 N4 O6 CC(C)[C@@H....
39 5NOU - L60 C4 H8 N2 O C1CNC(=O)N....
70% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 5NOR - 93Q C6 H8 N2 Cc1cccnc1N
2 5T9W Kd = 2600 nM 78E C30 H42 N4 O6 CC(C)[C@H]....
3 5NOV - 93B C4 H8 N2 S C1CNC(=S)N....
4 6X4O Kd = 10 nM UO7 C28 H35 N5 O5 C[C@@H]1c2....
5 5NOS - 92Z C5 H6 N2 O C1C=C(C(=O....
6 4DGB - PRO GLY PRO LEU PRO ALA n/a n/a
7 1W8L Ki = 320 mM 1P3 C8 H15 N O C[C@@H]1CC....
8 5T9U Kd = 25 nM 7HG C34 H50 N4 O8 C[C@H]1[C@....
9 1AWV - HIS VAL GLY PRO ILE ALA n/a n/a
10 5TA2 Kd = 11 nM 78X C36 H48 N4 O7 C[C@@H]1c2....
11 5NOT - 938 C4 H4 Cl N3 c1c(c(ncn1....
12 5T9Z Kd = 64 nM 78R C35 H46 N4 O7 C[C@@H]1[C....
13 5NOX - L97 C5 H5 Cl N2 c1cc(c(nc1....
14 5CYH - GLY PRO n/a n/a
15 2CYH - ALA PRO n/a n/a
16 1AWU - HIS VAL GLY PRO ILE ALA n/a n/a
17 1VBT - ALA ALT PRO PHE NIT n/a n/a
18 5TA4 Kd = 24 nM 838 C30 H44 N4 O6 C[C@@H]1c2....
19 5NOY - 93K C7 H9 N3 O c1cc(c(cc1....
20 1YND ic50 = 3.6 nM SFA C60 H91 N5 O13 CC[C@H]1C[....
21 6X4P Kd = 14 nM UOG C30 H39 N5 O5 C[C@@H]1c2....
22 6X4Q Kd = 9 nM UOJ C31 H39 N5 O5 C[C@@H]1c2....
23 5NOZ - L99 C7 H10 N4 O c1cc(c(cc1....
24 3CYH - SER PRO n/a n/a
25 1NMK ic50 = 5.7 nM SFM C39 H56 N4 O10 C[C@H]1[C@....
26 6X4N Kd = 4 nM UOD C30 H39 N5 O5 C[C@@H]1c2....
27 5NOW - L89 C5 H7 N3 c1cncc(c1N....
28 6X3Y Kd = 10000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
29 6X4M Kd = 11000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
30 4CYH - HIS PRO n/a n/a
31 1RMH - SIN ALA ALA PRO PHE NIT n/a n/a
32 1AWR - HIS ALA GLY PRO ILE ALA n/a n/a
33 1AWQ - HIS ALA GLY PRO ILE ALA n/a n/a
34 5LUD - 76X C5 H7 N3 c1cc(c(nc1....
35 1VBS - ALA DAL PRO PHE NIT n/a n/a
36 5NOQ - 93E C5 H5 Cl N2 c1cc(c(nc1....
37 1W8M Ki = 25 mM E1P C9 H15 N O3 CCOC(=O)C(....
38 6X3R Kd = 30000 nM ZXX C22 H32 N4 O6 CC(C)[C@@H....
39 5NOU - L60 C4 H8 N2 O C1CNC(=O)N....
40 6R9X Kd = 1.1 mM JW2 C13 H17 N3 O2 c1ccnc(c1)....
41 4ZSD - 7I6 C24 H32 N4 O2 S2 CSCC[C@@H]....
42 4XNC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
43 4ZSC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
44 6RA1 - JWB C11 H13 N O4 C1C[C@H]2C....
45 6R8W Kd = 1.2 uM JVH C23 H27 N3 O5 c1cc2c(cc1....
46 6R8O Kd = 0.67 uM JV2 C26 H32 N4 O4 S CSc1ccccc1....
47 6R8L Kd = 0.006 uM JUZ C26 H32 N4 O4 S CSc1ccccc1....
48 6R9U Kd = 7.5 mM JVQ C13 H16 N2 O3 CCN1Cc2cc3....
49 6R9S Kd = 7.1 mM JVN C11 H12 F N O2 c1cc2c(cc1....
50 5YBA Kd = 16.81 uM GLU TYR GLY PRO LYS TRP ASN LYS n/a n/a
51 1VDN - ACE ALA ALA PRO ALA MCM n/a n/a
52 1E8K - ALA PRO n/a n/a
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5NOR - 93Q C6 H8 N2 Cc1cccnc1N
2 5T9W Kd = 2600 nM 78E C30 H42 N4 O6 CC(C)[C@H]....
3 5NOV - 93B C4 H8 N2 S C1CNC(=S)N....
4 6X4O Kd = 10 nM UO7 C28 H35 N5 O5 C[C@@H]1c2....
5 5NOS - 92Z C5 H6 N2 O C1C=C(C(=O....
6 4DGB - PRO GLY PRO LEU PRO ALA n/a n/a
7 1W8L Ki = 320 mM 1P3 C8 H15 N O C[C@@H]1CC....
8 5T9U Kd = 25 nM 7HG C34 H50 N4 O8 C[C@H]1[C@....
9 1AWV - HIS VAL GLY PRO ILE ALA n/a n/a
10 5TA2 Kd = 11 nM 78X C36 H48 N4 O7 C[C@@H]1c2....
11 5NOT - 938 C4 H4 Cl N3 c1c(c(ncn1....
12 5T9Z Kd = 64 nM 78R C35 H46 N4 O7 C[C@@H]1[C....
13 5NOX - L97 C5 H5 Cl N2 c1cc(c(nc1....
14 5CYH - GLY PRO n/a n/a
15 2CYH - ALA PRO n/a n/a
16 1AWU - HIS VAL GLY PRO ILE ALA n/a n/a
17 1VBT - ALA ALT PRO PHE NIT n/a n/a
18 5TA4 Kd = 24 nM 838 C30 H44 N4 O6 C[C@@H]1c2....
19 5NOY - 93K C7 H9 N3 O c1cc(c(cc1....
20 1YND ic50 = 3.6 nM SFA C60 H91 N5 O13 CC[C@H]1C[....
21 6X4P Kd = 14 nM UOG C30 H39 N5 O5 C[C@@H]1c2....
22 6X4Q Kd = 9 nM UOJ C31 H39 N5 O5 C[C@@H]1c2....
23 5NOZ - L99 C7 H10 N4 O c1cc(c(cc1....
24 3CYH - SER PRO n/a n/a
25 1NMK ic50 = 5.7 nM SFM C39 H56 N4 O10 C[C@H]1[C@....
26 6X4N Kd = 4 nM UOD C30 H39 N5 O5 C[C@@H]1c2....
27 5NOW - L89 C5 H7 N3 c1cncc(c1N....
28 6X3Y Kd = 10000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
29 6X4M Kd = 11000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
30 4CYH - HIS PRO n/a n/a
31 1RMH - SIN ALA ALA PRO PHE NIT n/a n/a
32 1AWR - HIS ALA GLY PRO ILE ALA n/a n/a
33 1AWQ - HIS ALA GLY PRO ILE ALA n/a n/a
34 5LUD - 76X C5 H7 N3 c1cc(c(nc1....
35 1VBS - ALA DAL PRO PHE NIT n/a n/a
36 5NOQ - 93E C5 H5 Cl N2 c1cc(c(nc1....
37 1W8M Ki = 25 mM E1P C9 H15 N O3 CCOC(=O)C(....
38 6X3R Kd = 30000 nM ZXX C22 H32 N4 O6 CC(C)[C@@H....
39 5NOU - L60 C4 H8 N2 O C1CNC(=O)N....
40 6R9X Kd = 1.1 mM JW2 C13 H17 N3 O2 c1ccnc(c1)....
41 4ZSD - 7I6 C24 H32 N4 O2 S2 CSCC[C@@H]....
42 4XNC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
43 4ZSC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
44 6RA1 - JWB C11 H13 N O4 C1C[C@H]2C....
45 6R8W Kd = 1.2 uM JVH C23 H27 N3 O5 c1cc2c(cc1....
46 6R8O Kd = 0.67 uM JV2 C26 H32 N4 O4 S CSc1ccccc1....
47 6R8L Kd = 0.006 uM JUZ C26 H32 N4 O4 S CSc1ccccc1....
48 6R9U Kd = 7.5 mM JVQ C13 H16 N2 O3 CCN1Cc2cc3....
49 6R9S Kd = 7.1 mM JVN C11 H12 F N O2 c1cc2c(cc1....
50 5YBA Kd = 16.81 uM GLU TYR GLY PRO LYS TRP ASN LYS n/a n/a
51 1VDN - ACE ALA ALA PRO ALA MCM n/a n/a
52 1E8K - ALA PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: L60; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 L60 1 1
2 V1L 0.434783 0.648649
3 93B 0.428571 0.717949
Similar Ligands (3D)
Ligand no: 1; Ligand: L60; Similar ligands found: 564
No: Ligand Similarity coefficient
1 2IM 1.0000
2 CXL 1.0000
3 CYH 1.0000
4 IPH 1.0000
5 7EX 1.0000
6 A2Q 0.9985
7 HAI 0.9959
8 9PO 0.9900
9 HRZ 0.9890
10 BAQ 0.9880
11 LGA 0.9880
12 HVK 0.9880
13 2AP 0.9880
14 3AP 0.9870
15 4AP 0.9870
16 MBN 0.9860
17 SYN 0.9830
18 1CB 0.9814
19 ATQ 0.9812
20 CEJ 0.9766
21 WOT 0.9754
22 GXE 0.9750
23 GBL 0.9747
24 26D 0.9740
25 HPY 0.9738
26 8CL 0.9730
27 HSL 0.9719
28 URA 0.9718
29 6SP 0.9684
30 ECE 0.9678
31 MB3 0.9672
32 ICC 0.9669
33 KSW 0.9665
34 DUC 0.9659
35 IDH 0.9651
36 HHN 0.9650
37 3MT 0.9650
38 TTO 0.9650
39 APY 0.9643
40 2KT 0.9633
41 282 0.9616
42 CRS 0.9612
43 HYN 0.9610
44 AMT 0.9600
45 3TR 0.9600
46 HBX 0.9599
47 4CH 0.9593
48 PYJ 0.9586
49 ABN 0.9579
50 4JU 0.9576
51 HOW 0.9570
52 NVI 0.9570
53 HGQ 0.9567
54 MZ0 0.9560
55 MLI 0.9550
56 2AI 0.9550
57 1MZ 0.9550
58 4MZ 0.9550
59 MLA 0.9547
60 2MZ 0.9540
61 PIH 0.9540
62 HGW 0.9530
63 284 0.9524
64 285 0.9516
65 B24 0.9515
66 CYT 0.9510
67 H3M 0.9509
68 FPI 0.9509
69 NBE 0.9505
70 1MR 0.9503
71 MR3 0.9500
72 MMZ 0.9497
73 2MH 0.9493
74 BEW 0.9493
75 DGY 0.9486
76 RCO 0.9480
77 LG3 0.9480
78 4AX 0.9472
79 PCR 0.9470
80 8GF 0.9470
81 PY7 0.9468
82 MZY 0.9465
83 PLQ 0.9460
84 XIX 0.9460
85 LG5 0.9460
86 BVF 0.9460
87 OXL 0.9458
88 DMG 0.9448
89 3ZQ 0.9447
90 BML 0.9446
91 PRI 0.9441
92 5MP 0.9440
93 3CH 0.9440
94 AMC 0.9440
95 HQE 0.9440
96 BVC 0.9436
97 3ZS 0.9430
98 FPN 0.9430
99 9CL 0.9429
100 OXM 0.9424
101 GOL 0.9422
102 FP2 0.9420
103 5KX 0.9420
104 LG4 0.9420
105 DA1 0.9420
106 2OP 0.9419
107 40O 0.9415
108 1AN 0.9415
109 24T 0.9413
110 HVQ 0.9413
111 BNZ 0.9410
112 PHZ 0.9410
113 CAQ 0.9410
114 93Q 0.9410
115 KG7 0.9405
116 8LG 0.9400
117 0PY 0.9400
118 DXX 0.9395
119 OXD 0.9395
120 280 0.9394
121 BVG 0.9390
122 B20 0.9390
123 25R 0.9390
124 3OH 0.9383
125 WBU 0.9383
126 HGY 0.9382
127 DTI 0.9380
128 PXY 0.9380
129 PYF 0.9376
130 4HS 0.9375
131 4DX 0.9374
132 3PY 0.9374
133 4JN 0.9373
134 4XX 0.9370
135 CIG 0.9370
136 BYZ 0.9370
137 SER 0.9368
138 P1R 0.9367
139 JZ3 0.9364
140 HIU 0.9362
141 PYR 0.9361
142 URF 0.9360
143 B3R 0.9360
144 25T 0.9360
145 JZ6 0.9360
146 1AC 0.9353
147 PYG 0.9353
148 M3T 0.9350
149 L89 0.9350
150 JZ0 0.9350
151 92Z 0.9350
152 DMI 0.9350
153 76X 0.9340
154 HEW 0.9340
155 ES3 0.9330
156 IDM 0.9330
157 2EZ 0.9329
158 HUI 0.9329
159 LAC 0.9324
160 CYS 0.9322
161 4H2 0.9320
162 HHQ 0.9320
163 938 0.9320
164 FPY 0.9316
165 DSN 0.9315
166 SMB 0.9311
167 RP7 0.9309
168 ALA 0.9306
169 E60 0.9303
170 BAL 0.9302
171 DAL 0.9299
172 03W 0.9292
173 278 0.9291
174 IOL 0.9290
175 2CH 0.9290
176 C5J 0.9289
177 PYZ 0.9280
178 HTS 0.9276
179 2RA 0.9268
180 TMZ 0.9268
181 RSF 0.9267
182 XAP 0.9266
183 2AF 0.9264
184 VAL 0.9264
185 BZI 0.9260
186 R8A 0.9258
187 DE2 0.9258
188 2PC 0.9255
189 A3B 0.9254
190 DBB 0.9254
191 1DH 0.9250
192 GVH 0.9250
193 XYS 0.9249
194 TMT 0.9248
195 MAK 0.9246
196 OXE 0.9241
197 0R1 0.9230
198 BZF 0.9230
199 BU4 0.9229
200 MLM 0.9221
201 NCM 0.9221
202 LZ1 0.9220
203 MPI 0.9220
204 IND 0.9220
205 MLT 0.9216
206 JZ9 0.9216
207 J1Z 0.9216
208 ALO 0.9209
209 ABA 0.9201
210 0CT 0.9200
211 TDR 0.9200
212 6UA 0.9199
213 NAK 0.9198
214 THR 0.9196
215 NK 0.9193
216 23W 0.9191
217 BEN 0.9188
218 PRO 0.9188
219 6X8 0.9188
220 XYP 0.9182
221 3MC 0.9180
222 YAN 0.9180
223 39J 0.9179
224 KIV 0.9179
225 BUO 0.9175
226 DCY 0.9168
227 4HO 0.9160
228 NCA 0.9160
229 1PT 0.9153
230 BEZ 0.9152
231 1MC 0.9150
232 MCT 0.9150
233 DEN 0.9150
234 YHO 0.9147
235 NBZ 0.9143
236 TFB 0.9142
237 3FA 0.9140
238 JZ1 0.9139
239 AOA 0.9136
240 4JP 0.9136
241 1AB 0.9134
242 0R0 0.9132
243 286 0.9131
244 HBA 0.9130
245 1XX 0.9127
246 192 0.9126
247 OHG 0.9121
248 MBD 0.9120
249 AKB 0.9120
250 A1U 0.9120
251 GOA 0.9119
252 P2D 0.9118
253 FW5 0.9115
254 XYD 0.9110
255 ICP 0.9110
256 LDU 0.9110
257 NIO 0.9109
258 R2B 0.9109
259 EDG 0.9107
260 JBN 0.9105
261 FFP 0.9103
262 DAB 0.9102
263 BUA 0.9101
264 4ZE 0.9100
265 FLM 0.9100
266 PZA 0.9097
267 PYM 0.9094
268 2C9 0.9090
269 0TR 0.9089
270 HY3 0.9088
271 R1X 0.9086
272 6PC 0.9086
273 NIS 0.9085
274 GMN 0.9084
275 XBZ 0.9080
276 TH0 0.9078
277 SAR 0.9078
278 BUQ 0.9078
279 MRY 0.9077
280 ALQ 0.9076
281 ASP 0.9076
282 PYD 0.9073
283 SMV 0.9072
284 MWM 0.9070
285 2MY 0.9070
286 5UC 0.9070
287 4CL 0.9070
288 T2C 0.9069
289 FAH 0.9063
290 BAM 0.9060
291 FOA 0.9060
292 2AC 0.9060
293 4JJ 0.9060
294 6MH 0.9060
295 3GR 0.9058
296 BP9 0.9058
297 HSE 0.9058
298 PYC 0.9052
299 WDL 0.9050
300 5MH 0.9050
301 BR9 0.9050
302 IMR 0.9046
303 PPI 0.9043
304 JZ2 0.9040
305 MEU 0.9039
306 1DU 0.9038
307 AAE 0.9037
308 275 0.9034
309 GAG 0.9034
310 2CM 0.9030
311 3MH 0.9030
312 27Y 0.9030
313 BMD 0.9028
314 GLY 0.9028
315 C2N 0.9026
316 C2A 0.9024
317 NIE 0.9023
318 UNU 0.9021
319 DUB 0.9020
320 HBS 0.9019
321 DTL 0.9017
322 DPR 0.9017
323 3CE 0.9014
324 3HL 0.9013
325 HBR 0.9011
326 34A 0.9010
327 2YU 0.9010
328 MZG 0.9010
329 TM7 0.9010
330 5Y9 0.9009
331 2DR 0.9007
332 IFM 0.9004
333 SGL 0.9003
334 NEQ 0.9003
335 AX2 0.9000
336 TP5 0.8998
337 HT4 0.8998
338 TM4 0.8998
339 GLV 0.8995
340 2MP 0.8994
341 JZ5 0.8992
342 3AY 0.8990
343 HAE 0.8989
344 9YL 0.8983
345 9X7 0.8983
346 QSC 0.8979
347 OXQ 0.8976
348 4JL 0.8975
349 LER 0.8972
350 ADE 0.8972
351 MWJ 0.8970
352 13X 0.8970
353 HPA 0.8970
354 4JO 0.8968
355 SS2 0.8965
356 IQ0 0.8964
357 GXV 0.8964
358 YCP 0.8964
359 7CZ 0.8960
360 2ZX 0.8960
361 PAE 0.8960
362 TZC 0.8958
363 GBD 0.8955
364 PCA 0.8954
365 M58 0.8954
366 43M 0.8953
367 4VP 0.8953
368 HCS 0.8951
369 MMU 0.8950
370 273 0.8950
371 PRS 0.8948
372 LXC 0.8946
373 FLA 0.8945
374 HDA 0.8943
375 5AC 0.8943
376 5JC 0.8940
377 5ZE 0.8939
378 VGL 0.8938
379 NTN 0.8936
380 BAE 0.8935
381 7MH 0.8934
382 C2B 0.8932
383 5AN 0.8932
384 IUR 0.8930
385 265 0.8928
386 DFB 0.8926
387 9TY 0.8921
388 RIB 0.8920
389 F3V 0.8918
390 ARA 0.8916
391 O7U 0.8915
392 CHT 0.8911
393 IT2 0.8909
394 R3W 0.8908
395 ARB 0.8907
396 IVA 0.8906
397 AHR 0.8906
398 7HP 0.8903
399 SSN 0.8900
400 BR8 0.8900
401 2HE 0.8899
402 CRN 0.8893
403 FBA 0.8890
404 CP 0.8888
405 QOS 0.8885
406 MRZ 0.8884
407 SEJ 0.8882
408 OAA 0.8881
409 PBC 0.8880
410 TF4 0.8880
411 2HA 0.8880
412 JZ7 0.8876
413 MAE 0.8875
414 0MK 0.8873
415 RIP 0.8871
416 SAL 0.8869
417 Y8I 0.8863
418 F50 0.8859
419 C21 0.8859
420 TLD 0.8859
421 ERH 0.8855
422 2A1 0.8855
423 64K 0.8848
424 MZW 0.8844
425 51F 0.8844
426 JAB 0.8844
427 MTG 0.8844
428 SS1 0.8842
429 94N 0.8840
430 ITU 0.8839
431 T6C 0.8837
432 TAY 0.8833
433 CIZ 0.8828
434 6HQ 0.8819
435 3BB 0.8819
436 RUU 0.8816
437 OXZ 0.8814
438 60P 0.8814
439 LMR 0.8810
440 PM6 0.8810
441 47J 0.8808
442 FUF 0.8806
443 AKR 0.8805
444 SIN 0.8804
445 DFU 0.8803
446 BE2 0.8803
447 FUC 0.8801
448 ITN 0.8791
449 JIF 0.8790
450 AC0 0.8789
451 DCD 0.8789
452 YTB 0.8787
453 4JM 0.8784
454 AZF 0.8784
455 ASN 0.8783
456 DTU 0.8783
457 3HR 0.8780
458 10L 0.8780
459 4XR 0.8780
460 NHY 0.8771
461 MGX 0.8770
462 ES4 0.8770
463 9HX 0.8770
464 BTE 0.8768
465 NVA 0.8763
466 AGK 0.8762
467 AGU 0.8760
468 BNS 0.8751
469 FUL 0.8748
470 HYP 0.8747
471 3XX 0.8746
472 6MP 0.8745
473 98J 0.8743
474 9DA 0.8740
475 BP1 0.8735
476 HVB 0.8734
477 BZX 0.8733
478 3U4 0.8732
479 ABE 0.8731
480 TCZ 0.8730
481 7WA 0.8730
482 ETF 0.8730
483 HLT 0.8729
484 HSM 0.8729
485 CEE 0.8724
486 61G 0.8723
487 270 0.8720
488 HUH 0.8720
489 NMU 0.8720
490 23B 0.8719
491 HZP 0.8716
492 Z6J 0.8715
493 F81 0.8715
494 DTT 0.8713
495 IP0 0.8712
496 TSZ 0.8711
497 PZO 0.8710
498 PHB 0.8710
499 J3K 0.8708
500 RSO 0.8706
501 23A 0.8704
502 VNJ 0.8702
503 UY7 0.8700
504 IMD 0.8700
505 TAU 0.8697
506 FCN 0.8697
507 HMH 0.8696
508 H8N 0.8690
509 GIF 0.8686
510 PAV 0.8683
511 KOJ 0.8682
512 PBE 0.8680
513 PPF 0.8677
514 D2P 0.8676
515 9A4 0.8672
516 NMJ 0.8670
517 HY1 0.8668
518 260 0.8667
519 32O 0.8665
520 TBP 0.8665
521 TAR 0.8657
522 TRI 0.8657
523 CSS 0.8655
524 PEL 0.8655
525 40E 0.8654
526 2XX 0.8651
527 CXF 0.8650
528 UYA 0.8649
529 FUB 0.8648
530 F05 0.8646
531 3Z7 0.8645
532 2MI 0.8642
533 TZE 0.8642
534 24B 0.8640
535 271 0.8639
536 PAF 0.8636
537 ZZT 0.8635
538 AX7 0.8630
539 POA 0.8628
540 ODV 0.8624
541 HV2 0.8624
542 3CL 0.8621
543 PEA 0.8615
544 NMG 0.8609
545 ICN 0.8609
546 L3Q 0.8602
547 PXO 0.8601
548 BXA 0.8600
549 ATO 0.8598
550 NSP 0.8597
551 ALF 0.8592
552 BTL 0.8585
553 JBE 0.8584
554 2CK 0.8583
555 261 0.8582
556 8NY 0.8580
557 H76 0.8569
558 HMU 0.8556
559 P3K 0.8543
560 TMH 0.8543
561 9EW 0.8539
562 PTO 0.8537
563 FCA 0.8533
564 TB6 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YND; Ligand: SFA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ynd.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YND; Ligand: SFA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ynd.bio2) has 51 residues
No: Leader PDB Ligand Sequence Similarity
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